2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one

C12H10Cl2N2O — CID 2800007

IUPAC2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H10Cl2N2O/c1-8-2-5-12(17)16(15-8)7-9-3-4-10(13)11(14)6-9/h2-6H,7H2,1H3
InChIKeyDBBXSRDCSJOTDU-UHFFFAOYSA-N
MW269.13 g/mol
LogP2.91
Rot. Bonds2

About 2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one

2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one (PubChem CID 2800007) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one
PubChem CID2800007
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H10Cl2N2O/c1-8-2-5-12(17)16(15-8)7-9-3-4-10(13)11(14)6-9/h2-6H,7H2,1H3
InChIKeyDBBXSRDCSJOTDU-UHFFFAOYSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one (CID 2800007) is 2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one?
The InChIKey is DBBXSRDCSJOTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-8-2-5-12(17)16(15-8)7-9-3-4-10(13)11(14)6-9/h2-6H,7H2,1H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one?
2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one has a molecular weight of 269.13 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 2800007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).